Mrv1718010261720112D          

  7  6  0  0  0  0            999 V2000
    1.6500    1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01783

> <DATABASE_NAME>
drugbank

> <SMILES>
FC(F)(F)C(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2ClF3O/c3-1(7)2(4,5)6

> <INCHI_KEY>
PNQBEPDZQUOCNY-UHFFFAOYSA-N

> <FORMULA>
C2ClF3O

> <MOLECULAR_WEIGHT>
132.47

> <EXACT_MASS>
131.9589768

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
6.742415658902009

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trifluoroacetyl chloride

> <ALOGPS_LOGP>
1.28

> <JCHEM_LOGP>
1.4423125689999998

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
17.512400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.19e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trifluoroacetyl chloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET01783

> <NAME>
Trifluoroacetyl chloride

> <UNII>
A23U71SY9G

$$$$